![]() |
Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
|
|
You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy |
Cation | Neutral | Difference | Vertical | Difference | |||||||
---|---|---|---|---|---|---|---|---|---|---|---|
Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
Hartrees | -75.3598710 | -75.8026970 | 0.4428260 | 0.0000000 | 75.8026970 | ||||||
cm-1 | 741.2 | 970.2 | -229.0 | ||||||||
eV | -2050.646 | 0.092 | -2050.554 | -2062.696 | 0.120 | -2062.576 | 12.050 | -0.028 | 12.022 | 0.000 | 2062.696 |